I.S. 3231

3,7-bis(1-hydroxy-2-methylpropan-2-yl)-1,5-diphenyl-3,7-diazabicyclo[3.3.1]nonan-9-one

CAS: 4208-25-7

Molecular Formula	`C27H36N2O3`
Molecular Weight	436.6 g/mol
LogP	2.4
Topological Polar Surface Area	64.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	6
Exact Mass	436.27258
Heavy Atoms	32
Complexity	608.0

Chemical Identifiers

CAS Number	4208-25-7
SMILES	`CC(C)(CO)N1CC2(CN(CC(C1)(C2=O)C3=CC=CC=C3)C(C)(C)CO)C4=CC=CC=C4`
InChIKey	`DWULQFGSUUQXGP-UHFFFAOYSA-N`

📖 Product Overview

I.S. 3231 (CAS: 4208-25-7) is a chemical compound with molecular formula C27H36N2O3 and molecular weight 436.6 g/mol. Its IUPAC systematic name is 3,7-bis(1-hydroxy-2-methylpropan-2-yl)-1,5-diphenyl-3,7-diazabicyclo[3.3.1]nonan-9-one. LogP 2.4 Topological Polar Surface Area 64.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 5 Rotatable Bonds 6 Exact Mass 436.27258 Heavy Atoms 32 Complexity 608.0 InChI Key: DWULQFGSUUQXGP-UHFFFAOYSA-N. SMILES: CC(C)(CO)N1CC2(CN(CC(C1)(C2=O)C3=CC=CC=C3)C(C)(C)CO)C4=CC=CC=C4.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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